CID 593048

4-ethyl-5-methyl-2-(1-methylethyl)thiazole

Structural Information

Molecular Formula
C9H15NS
SMILES
CCC1=C(SC(=N1)C(C)C)C
InChI
InChI=1S/C9H15NS/c1-5-8-7(4)11-9(10-8)6(2)3/h6H,5H2,1-4H3
InChIKey
CMIKRIOXEPLAGU-UHFFFAOYSA-N
Compound name
4-ethyl-5-methyl-2-propan-2-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

169.09251 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.099786 136.0
[M+Na]+ 192.081728 145.4
[M-H]- 168.085234 139.2
[M+NH4]+ 187.126333 158.4
[M+K]+ 208.055668 143.5
[M+H-H2O]+ 152.089770 130.5
[M+HCOO]- 214.090711 153.7
[M+CH3COO]- 228.106361 181.1
[M+Na-2H]- 190.067176 135.8
[M]+ 169.09196142 139.6
[M]- 169.09305858 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe